5-fluorocyclohexa-1,3-diene-1-carboxylic acid

C7H7FO2 — CID 54353987

IUPAC5-fluorocyclohexa-1,3-diene-1-carboxylic acid
SMILESO=C(O)C1=CC=CC(F)C1
InChIInChI=1S/C7H7FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4H2,(H,9,10)
InChIKeyUHUKIYHSDCMTNU-UHFFFAOYSA-N
MW142.13 g/mol
LogP1.30
Rot. Bonds1

About 5-fluorocyclohexa-1,3-diene-1-carboxylic acid

5-fluorocyclohexa-1,3-diene-1-carboxylic acid (PubChem CID 54353987) has the molecular formula C7H7FO2 and a molecular weight of 142.13 g/mol. Its IUPAC name is 5-fluorocyclohexa-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name5-fluorocyclohexa-1,3-diene-1-carboxylic acid
PubChem CID54353987
Molecular FormulaC7H7FO2
Molecular Weight142.13 g/mol
Exact Mass142.04
IUPAC Name5-fluorocyclohexa-1,3-diene-1-carboxylic acid
SMILESO=C(O)C1=CC=CC(F)C1
InChIInChI=1S/C7H7FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4H2,(H,9,10)
InChIKeyUHUKIYHSDCMTNU-UHFFFAOYSA-N
XLogP1.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluorocyclohexa-1,3-diene-1-carboxylic acid?
The IUPAC name of 5-fluorocyclohexa-1,3-diene-1-carboxylic acid (CID 54353987) is 5-fluorocyclohexa-1,3-diene-1-carboxylic acid.
What is the SMILES notation for 5-fluorocyclohexa-1,3-diene-1-carboxylic acid?
The canonical SMILES for 5-fluorocyclohexa-1,3-diene-1-carboxylic acid is O=C(O)C1=CC=CC(F)C1.
What is the InChIKey of 5-fluorocyclohexa-1,3-diene-1-carboxylic acid?
The InChIKey is UHUKIYHSDCMTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4H2,(H,9,10).
What are the key properties of 5-fluorocyclohexa-1,3-diene-1-carboxylic acid?
5-fluorocyclohexa-1,3-diene-1-carboxylic acid has a molecular weight of 142.13 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorocyclohexa-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 54353987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).